3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide

C19H24N4O4 — CID 17446914

IUPAC3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C19H24N4O4/c1-2-20-16(25)13-6-5-7-14(12-13)21-15(24)8-11-23-17(26)19(22-18(23)27)9-3-4-10-19/h5-7,12H,2-4,8-11H2,1H3,(H,20,25)(H,21,24)(H,22,27)
InChIKeyJRQVJRGVSPXCIT-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.63
Rot. Bonds6

About 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide

3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide (PubChem CID 17446914) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide
PubChem CID17446914
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C19H24N4O4/c1-2-20-16(25)13-6-5-7-14(12-13)21-15(24)8-11-23-17(26)19(22-18(23)27)9-3-4-10-19/h5-7,12H,2-4,8-11H2,1H3,(H,20,25)(H,21,24)(H,22,27)
InChIKeyJRQVJRGVSPXCIT-UHFFFAOYSA-N
XLogP1.63
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 18192866
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 8732916
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 43072122
[2-(3-bromoanilino)-2-oxoethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 47094319
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(9H-fluoren-2-yl)propanamide
CID 26783736
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 46653682
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide
CID 49498521
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 9467840
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 32983881

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide?
The IUPAC name of 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide (CID 17446914) is 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide?
The canonical SMILES for 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1.
What is the InChIKey of 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide?
The InChIKey is JRQVJRGVSPXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-20-16(25)13-6-5-7-14(12-13)21-15(24)8-11-23-17(26)19(22-18(23)27)9-3-4-10-19/h5-7,12H,2-4,8-11H2,1H3,(H,20,25)(H,21,24)(H,22,27).
What are the key properties of 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide?
3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide has a molecular weight of 372.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide is sourced from PubChem (CID 17446914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).